5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide

C19H28N4O4 — CID 154571572

IUPAC5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)O1
InChIInChI=1S/C19H28N4O4/c1-18(2,3)15-8-12(24)9-19(27-15)4-6-23(7-5-19)17(26)14-11-21-13(10-22-14)16(20)25/h10-12,15,24H,4-9H2,1-3H3,(H2,20,25)/t12-,15-/m1/s1
InChIKeySCFFKUDJGYUBML-IUODEOHRSA-N
MW376.46 g/mol
LogP1.14
Rot. Bonds2

About 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide

5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide (PubChem CID 154571572) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide
PubChem CID154571572
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)O1
InChIInChI=1S/C19H28N4O4/c1-18(2,3)15-8-12(24)9-19(27-15)4-6-23(7-5-19)17(26)14-11-21-13(10-22-14)16(20)25/h10-12,15,24H,4-9H2,1-3H3,(H2,20,25)/t12-,15-/m1/s1
InChIKeySCFFKUDJGYUBML-IUODEOHRSA-N
XLogP1.14
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide (CID 154571572) is 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide is CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc(C(N)=O)cn3)CC2)O1.
What is the InChIKey of 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide?
The InChIKey is SCFFKUDJGYUBML-IUODEOHRSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-18(2,3)15-8-12(24)9-19(27-15)4-6-23(7-5-19)17(26)14-11-21-13(10-22-14)16(20)25/h10-12,15,24H,4-9H2,1-3H3,(H2,20,25)/t12-,15-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide?
5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-tert-butyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154571572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).